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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Temperature-Sensitive Structure Evolution of Lithium–Manganese-Rich Layered Oxides for Lithium-Ion Batteries

Cathodes of lithium-rich layered oxides for high-energy Li-ion batteries in electrically powered vehicles are attracting considerable attention by the research community. Furthermore, current research is insufficient to account for their complex reaction mechanism and application. Thus, the structural evolution of lithium-manganese-rich layered oxides at different temperatures during electrochemical cycling has been investigated thoroughly, and their structural stability has been designed. The results indicated structure conversion from the two structures into a core-shell structure with a single distorted-monoclinic LiTMO 2 structure core and disordered-spinel/rock salt structure shell, along with lattice oxygen extraction and lattice densification, transition- metal migration, and aggregation on the crystal surface. Here, the structural conversion behavior was found to be seriously temperature sensitive, accelerated with higher temperature, and can be effectively adjusted by structural design. This study clarifies the structural evolution mechanism of these lithium-rich layered oxides and opens the door to the design of similar high-energy materials with better cycle stability.

25 ENERGY STORAGE↗
DOE OSTI2023

Protein remote homology detection and structural alignment using deep learning

Exploiting sequence–structure–function relationships in biotechnology requires improved methods for aligning proteins that have low sequence similarity to previously annotated proteins. We develop two deep learning methods to address this gap, TM-Vec and DeepBLAST. TM-Vec allows searching for structure–structure similarities in large sequence databases. It is trained to accurately predict TM-scores as a metric of structural similarity directly from sequence pairs without the need for intermediate computation or solution of structures. Once structurally similar proteins have been identified, DeepBLAST can structurally align proteins using only sequence information by identifying structurally homologous regions between proteins. It outperforms traditional sequence alignment methods and performs similarly to structure-based alignment methods. We show the merits of TM-Vec and DeepBLAST on a variety of datasets, including better identification of remotely homologous proteins compared with state-of-the-art sequence alignment and structure prediction methods.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

A scheme for the generation of Fe–P networks to search for low-energy LiFePO 4 crystal structures

Herein we present a network generation scheme to explore the structural diversity of LiFePO 4 , which is an important cathode material in Li-ion batteries. With our scheme, networks of Fe and P atoms were initially constructed as the backbone structures using structural motifs for the FeP x and FeP x configurations, obtained from existing structural databases. Then, O atoms were added, resulting in the formation of PO 4 tetrahedra and different types of Fe–O polyhedra. Finally, Li atoms were inserted into the vacancies within the generated FePO 4 structures. We searched structures with FeO 4 , FeO 5 , or FeO 6 polyhedra (unit cell with sizes of up to 4 formula units) and obtained ~8 times more low-energy structures through our database than through existing databases. Furthermore, using our more comprehensive structural database, we unveiled a number of rules for identifying low-energy structures. These improved results complement the existing databases and are valuable for further research on structural transformations in similar materials by changing lithium or sodium cation populations.

Lv, Xiaobao↗
DOE OSTI2021

Pressure-induced order–disorder transitions in β-In 2 S 3 : an experimental and theoretical study of structural and vibrational properties

We report this joint experimental and theoretical study of the structural and vibrational properties of β-In 2 S 3 upon compression shows that this tetragonal defect spinel undergoes two reversible pressure-induced order–disorder transitions up to 20 GPa. We propose that the first high-pressure phase above 5.0 GPa has the cubic defect spinel structure of α-In 2 S 3 and the second high-pressure phase ($\phi$-In 2 S 3 ) above 10.5 GPa has a defect α-NaFeO 2 -type (R$\bar{3}$) structure. This phase, related to the NaCl structure, has not been previously observed in spinels under compression and is related to both the tetradymite structure of topological insulators and to the defect LiTiO 2 phase observed at high pressure in other thiospinels. Structural characterization of the three phases shows that α-In 2 S 3 is softer than β-In 2 S 3 while $\phi$-In 2 S 3 is harder than β-In 2 S 3 . Vibrational characterization of the three phases is also provided, and their Raman-active modes are tentatively assigned. Our work shows that the metastable α phase of In 2 S 3 can be accessed not only by high temperature or varying composition, but also by high pressure. On top of that, the pressure-induced β–α–$\phi$ sequence of phase transitions evidences that β-In 2 S 3 , a B III 2 X V 3 compound with an intriguing structure typical of A II B III 2 X VI 4 compounds (intermediate between thiospinels and ordered-vacancy compounds) undergoes: (i) a first phase transition at ambient pressure to a disordered spinel-type structure (α-In 2 S 3 ), isostructural with those found at high pressure and high temperature in other B III 2 X V 3 compounds; and (ii) a second phase transition to the defect α-NaFeO 2 -type structure ($\phi$-In 2 S 3 ), a distorted NaCl-type structure that is related to the defect NaCl phase found at high pressure in A II B III 2 X VI 4 ordered-vacancy compounds and to the defect LiTiO 2 -type phase found at high pressure in A II B III 2 X VI 4 thiospinels. This result shows that In 2 S 3 (with its intrinsic vacancies) has a similar pressure behaviour to thiospinels and ordered-vacancy compounds of the A II B III 2 X VI 4 family, making β-In 2 S 3 the union link between such families of compounds and showing that group-13 thiospinels have more in common with ordered-vacancy compounds than with oxospinels and thiospinels with transition metals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The influence of the 6s 2 configuration of Bi 3+ on the structures of A′BiNb 2 O 7 (A′ = Rb, Na, Li) layered perovskite oxides

Solid state compounds which exhibit non-centrosymmetric crystal structures are of great interest due to the physical properties they can exhibit. Here, the ‘hybrid improper’ mechanism – in which two non-polar distortion modes couple to, and stabilize, a further polar distortion mode, yielding an acentric crystal structure – offers opportunities to prepare a range of novel non-centrosymmetric solids, but examples of compounds exhibiting acentric crystal structures stabilized by this mechanism are still relatively rare. Here we describe a series of bismuth-containing layered perovskite oxide phases, RbBiNb 2 O 7 , LiBiNb 2 O 7 and NaBiNb 2 O 7 , which have structural frameworks compatible with hybrid-improper ferroelectricity, but also contain Bi 3+ cations which are often observed to stabilize acentric crystal structures due to their 6s 2 electronic configurations. Neutron powder diffraction analysis reveals that RbBiNb 2 O 7 and LiBiNb 2 O 7 adopt polar crystal structures (space groups I2cm and B2cm respectively), compatible with stabilization by a trilinear coupling of non-polar and polar modes. The Bi 3+ cations present are observed to enhance the magnitude of the polar distortions of these phases, but are not the primary driver for the acentric structure, as evidenced by the observation that replacing the Bi 3+ cations with Nd 3+ cations does not change the structural symmetry of the compounds. In contrast the non-centrosymmetric, but non-polar structure of NaBiNb 2 O 7 (space group P2 1 2 1 2 1 ) differs significantly from the centrosymmetric structure of NaNdNb 2 O 7 , which is attributed to a second-order Jahn-Teller distortion associated with the presence of the Bi3+ cations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effect of the abolition of intersubunit salt bridges on allosteric protein structural dynamics

A salt bridge, one of the representative structural factors established by non-covalent interactions, plays a crucial role in stabilizing the structure and regulating the protein function, but its role in dynamic processes has been elusive. Here, to scrutinize the structural and functional roles of the salt bridge in the process of performing the protein function, we investigated the effects of salt bridges on the allosteric structural transition of homodimeric hemoglobin (HbI) by applying time-resolved X-ray solution scattering (TRXSS) to the K30D mutant, in which the interfacial salt bridges of the wild type (WT) are abolished. The TRXSS data of K30D are consistent with the kinetic model that requires one monomer intermediate in addition to three structurally distinct dimer intermediates (I 1 , I 2 , and I 3 ) observed in WT and other mutants. The kinetic and structural analyses show that K30D has an accelerated biphasic transition from I 2 to I 3 by more than nine times compared to WT and lacks significant structural changes in the transition from R-like I 2 to T-like I 3 observed in WT, unveiling that the loss of the salt bridges interrupts the R–T allosteric transition of HbI. Besides, the correlation between the bimolecular CO recombination rates in K30D, WT, and other mutants reveals that the bimolecular CO recombination is abnormally decelerated in K30D, indicating that the salt bridges also affect the cooperative ligand binding in HbI. These comparisons of the structural dynamics and kinetics of K30D and WT show that the interfacial salt bridges not only assist the physical connection of two subunits but also play a critical role in the global structural signal transduction of one subunit to the other subunit via a series of well-organized structural transitions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Transient structured fluctuations in a two-dimensional system with multiple ordered phases

We report the structure of transient fluctuations in the liquid phase of a two-dimensional system that exhibits several ordered phases with different symmetries. The density-temperature phase diagram of the system studied, composed of particles with a repulsive shouldered soft-core pair interaction, has regions with stable liquid and hexatic phases, a square solid phase, two separate hexagonal solid phases, and a quasi-crystalline phase with 12-fold symmetry. We have examined the character of the structured fluctuations by computing the same-time aperture cross correlation function of particle configurations in several fluid regions near to and far from phase transition lines. The two primary goals of our study are (1) determination if the spectrum of structures of the fluctuations in the liquid is broader than or limited to the motifs exhibited by the ordered phases supported by the system and (2) determination of the density domains in the liquid that support particular transient structured fluctuations. In the system studied, along a low-temperature isotherm in the temperature-density plane that intersects all the ordered phases we find that the liquid phase exhibits structured fluctuations with hexagonal symmetry near both liquid-hexatic transition lines. Along the same isotherm and in the stable liquid between the lower density hexatic-to-liquid and the higher density liquid-to-square solid transitions, we find that transient hexagonal ordered fluctuations dominate the liquid region near the hexatic-to-liquid transition and square ordered fluctuations dominate the liquid region near the liquid-to square solid transition, but both of these structured fluctuations occur at all densities between these transition lines. At a higher temperature, at phase points in the liquid above, but close to the density maximum of an underlying transition, there are ordered fluctuations that can be correlated with the structure of the lower temperature phase. Although it is expected that very close to a liquid-ordered phase boundary a structured fluctuation in the liquid will have the same symmetry as the ordered phase, it is not obvious that structured fluctuations in thermodynamic states deep in the liquid phase will be similarly restricted. The most striking result of our calculations is that no evidence is found in the liquid phase for structured fluctuations with other symmetries than those of the ordered phases of the system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Geometry and dynamics of passive scalar structures in compressible turbulent mixing

We present a structure-based numerical analysis of passive scalar mixing in decaying homogeneous isotropic turbulence (DHIT) and shock-turbulence interaction canonical configurations. The analysis focuses on the temporal evolution of ensembles of passive scalar structures, initialized as spheres of different sizes relative to the Taylor microscale. An algorithm is introduced to track the evolution of each individual structure and the interactions with other structures in the ensemble, relating changes in the surface geometry and the underlying physical processes (turbulent transport, scalar dissipation, and shock compression). The tracking algorithm is applied to datasets from shock-capturing direct numerical simulations of DHIT, with Taylor microscale Reynolds number Re λ =40 and turbulence Mach number M t =0.2 ⁠, and STI cases in which the turbulence is processed by a shock wave at Mach numbers M = 1.5 and 3.0. Temporal surface convolution increases for initially larger structures, resulting in a higher probability of locally hyperbolic geometries where breakup into smaller structures occurs. Shock-induced deformation of the structures amplifies breakup processes, enhancing mixing, particularly for larger structures. Mixing enhancement by the shock is manifested as an amplification of the surface-averaged scalar gradient, which increases for initially larger structures. The alignment between the scalar gradient and the most extensional strain-rate eigendirection on the scalar isosurfaces also increases across the shock. Larger magnitudes of the scalar gradient and its alignment with the most compressive strain-rate eigendirection correlate with flatter surface regions. Shock-induced structure compression increases the area coverage of flat regions, where the amplification of scalar gradient is localized.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Recent research on inherent molecular structure, physiochemical properties, and bio-functions of food and feed-type Avena sativa oats and processing-induced changes revealed with molecular microspectroscopic techniques

Avena sativa oat is a cereal widely used as human food and livestock feed. However, the low metabolized energy and the rapid rumen degradations of protein and starch have limited the use of A. sativa oat grains. To overcome this disadvantage, new A. sativa oat varieties have been developed. Additionally, heat-related processing has been performed to decrease the degradation rate and improve the absorption of amino acids in the small intestine. The nutritive value is reflected by both chemical composition and inherent molecular structure conformation. However, the traditional wet chemical analysis is not able to detect the inherent molecular structures within an intact tissue. The advanced synchrotron-radiation and globar-based molecular microspectroscopy have been developed recently and applied to study internal molecular structures and the processing induced structure changes in A. sativa oats and reveal how molecular structure changes in relation to nutrient availability. This review aimed to obtain the recent information regarding physiochemical properties, molecular structures, metabolic characteristics of protein, and the heat-induced changes in new A. sativa oat varieties. The use of the advanced vibrational molecular spectroscopy was emphasized, synchrotron- and globar-based (micro)spectroscopy, to reveal the inherent structure of A. sativa oats at cellular and molecular levels and to reveal the heat processing effect on the degradation characteristics and the protein molecular structure in A. sativa oats. The relationship between nutrient availability and protein molecular inherent structure was also presented. Information described in this review gives better insight in the physiochemical properties, molecular structure, and the heat-induced changes in A. sativa oat detected with advanced molecular spectroscopic techniques in combinination with conventional nutrition study techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Predicted structural proteome of Sphagnum divinum and proteome-scale annotation

Sphagnum-dominated peatlands store a substantial amount of terrestrial carbon. The genus is undersampled and under-studied. No experimental crystal structure from any Sphagnum species exists in the Protein Data Bank and fewer than 200 Sphagnum-related genes have structural models available in the AlphaFold Protein Structure Database. Tools and resources are needed to help bridge these gaps, and to enable the analysis of other structural proteomes now made possible by accurate structure prediction. We present the predicted structural proteome (25,134 primary transcripts) of Sphagnum divinum computed using AlphaFold, structural alignment results of all high-confidence models against an annotated nonredundant crystallographic database of over 90,000 structures, a structure-based classification of putative Enzyme Commission (EC) numbers across this proteome, and the computational method to perform this proteome-scale structure-based annotation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Monthly averages of ED2 model simulations initialized with airborne lidar structure, Jan 1981-Dec 2018, Brazilian Amazon

Deforestation and forest degradation (selective logging, fires, fragmentation) have impacted nearly 40% of the original extent of the Brazilian Amazon, and have markedly impacted forest structure across the region. To date, few studies analysed how shifts in forest structure from degradation influence the forest sensitivity to climate extremes, because of the complex interactions between forest structure and micro-environmental conditions. To address this knowledge gap, we carried out a series of simulations across the Brazilian Amazon using the Ecosystem Demography Model (ED2), using observed forest structure derived from 541 airborne lidar transects (375 ha each) and two scenarios representing forest recovery and expansion of degradation to investigate how shifts in forest structure impact ecosystem function under near-average and extreme climate conditions, as part of the manuscript Longo et al 2025 "Degradation and Deforestation Increase the Sensitivity of the Amazon Forest to Climate Extremes". This dataset provides the output results from the ED2 model simulations for the three simulations at monthly time scales, in NetCDF format. For all simulations, we used bias-corrected hourly reanalyses (WFDE5) for most meteorological drivers, except for precipitation, which was obtained from CHIRPS. The meteorological drivers used in the study span 38 years (Jan 1981–Dec 2018). The output results correspond to the last 38 years of simulation (one full cycle of meteorological drivers), in which ED2 simulations used static stand structure (i.e., the forest structure was held constant). The following files are provided:ED2_emean_Global_R004_BrAmaz_s1c0t0l0f0.nc. This corresponds to the Control simulation. The forest structure was obtained from the airborne lidar.ED2_emean_Global_R005_BrAmaz_s1c0t1l1f0.nc. This corresponds to the Degraded simulation. The forest structure was obtained from a spin-up simulation initialized with airborne lidar and a scenario that expanded deforestation and selective logging across the Amazon.ED2_emean_Global_R006_BrAmaz_s1c0t1l0f0.nc. This corresponds to the Recovery simulation. The forest structure was obtained from a spin-up simulation initialized with airborne lidar and a scenario that completely halted deforestation and degradation, allowing degraded forests to recover for 38 years.We also provide file ED2_zones_R004_BrAmaz_s1c0t0l0f0.nc, which classifies each grid cell into zones used in the reference manuscript: 1: Southeast. 2: South. 3: West. 4: Central. 5: Northeast. 6: North. 7: Northwest". Index 0 corresponds to grid cells excluded from sub-region analyses because they were dominated by flooded forests, deforestation, and naturally non-forest vegetation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Development of Large Scale Extrusion Deposition for Structural Applications

Large Scale Extrusion Deposition (LSED) is an evolving additive manufacturing (AM) technology that research, such as that taking place at Oak Ridge National Laboratory (ORNL) and companies like Local Motors, are continuing to utilize and develop new applications. A major LSED application of interest has been molds and tooling as it allows for much shorter production time and lower cost. However, interest has been expanding into using LSED for more structural applications due to more frequent use of high performing polymer composites as feedstock. The use of LSED for structural applications is of particular interest to Local Motors as it is currently being used to create commercially viable, energy efficient electric vehicles. LSED offers a unique opportunity when compared to traditional manufacturing methods as it can significantly reduce the number of components necessary, while decreasing embodied energy and carbon emissions. Even with these benefits however, it is important that LSED is properly understood from a structural aspect as this field has not been as heavily researched as tooling. To ensure a high level of safety and repeatability is an essential responsibility of a manufacturer whose products are structural in nature. As such it is important to understand the materials and LSED process to make structural objects that the manufacturer can be confident in. The main goals of this project were to: develop and investigate materials that are of interest for structural LSED applications, further develop and understand the current machines used in LSED and develop simulations tools of LSED and the mechanical properties of the created structure. Material development focused on composite materials that have high mechanical properties and are stable in a variety of environments. The materials were tested to determine their as printed mechanical and thermal properties as these are necessary for simulations. Once the materials were investigated thoroughly, it allowed for simulations to be performed to compare to experimental data with simulations. Materials were also vetted to determine candidates for multi-material printing. The machine development focused around the areas of process monitoring, non-destructive evaluation, and quality control. Finally, the goal of the simulations was to develop a realistic model of printed structures, including in-process simulation and dynamic simulation. The routes to get to some of these goals and the depth in which they were investigated changed throughout the project due to personnel changes and the COVID-19 pandemic. This project resulted in many valuable results such as the development of an nondestructive evaluation (NDE) technique for interlayer defects, proof of simulation for warpage in simple parts, the development and utilization of a profilometer to monitor a print for defects or inconsistencies, thorough investigation of a material used commercially for structural LSED applications and valuable experimental data on the applicability and advantages of multi-material crush structures versus their neat counterparts by creation and testing of samples.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Neutrons in Structural Biology: Challenges and Opportunities (Workshop Report)

Gaining a thorough understanding of biological systems requires building our knowledge about biological processes from the level of atoms and electrons, and up to whole organisms. Such comprehensive knowledge will allow for a predictive understanding of complex biological systems behavior. It will guide us in the design and development of novel therapeutics and vaccines to tackle existing health threats and to prepare for future pandemics, and it will provide information necessary to create new biomaterials and bio-inspired technologies through manipulation of biological macromolecules, their assemblies, single cells and even microorganisms. Reaching these goals will require a synergistic combination of multiple experimental techniques with molecular calculations and predictive simulations, and the design and development of new techniques and capabilities that bridge current knowledge and technology gaps. Neutron scattering provides unique information about the biomacromolecular structure and function and can play a major role in achieving these goals. A workshop was held to engage the scientific community in identifying pressing challenges in biochemistry, structural biology, enzymology and structure-guided drug design not solved with the current neutron scattering technologies or utilizing other structural biology techniques such as X-ray crystallography, NMR, and cryo-EM. The workshop brought together structural biology, biochemistry and computational experts, as well as early career researchers and students, creating a forum for discussing scientific advancement and collaboration. The workshop included a one-day satellite training workshop where graduate students and postdoctoral researchers were educated in the application of neutron crystallography and small-angle scattering in structural biology. Furthermore, the Instrument Scientific Advisory Board (ISAB) for the development of a macromolecular neutron diffractometer at ORNL’s Second Target Station was introduced at the workshop. The major outcome was that neutrons can provide atomic-level understanding of biomacromolecular structure, function and dynamics which is of paramount importance for addressing the identified challenges. Neutron crystallography, in particular, can resolve long-standing biochemical issues regarding enzyme function by delineating the underlying chemistry and can have a major impact on the design of small-molecule therapeutics, especially in combination with molecular computation (quantum chemistry and molecular dynamics simulations) and the emerging artificial intelligence (AI)-assisted drug design technologies. The unique properties of neutrons, including their high sensitivity to hydrogen and their non-destructive nature, make them ideal probes of biological matter. There is a palpable need in the scientific community to expand and enhance the impact of neutron sciences on biology. Neutron crystallography is the only structural biology method capable of determining positions of all hydrogen atoms in proteins, nucleic acids and their complexes at near-physiological temperatures and of unstable species at cryogenic temperatures. Moreover, neutron analysis is non-ionizing, non-destructive and does not perturb the structure or redox chemistry of active site metal centers and clusters in proteins, which can be invaluable for studying radiation-sensitive metalloprotein complexes. Further, neutron energies used in scattering applications are similar to atomic motions, permitting neutron spectroscopies to characterize the dynamics of biomacromolecules on the picosecond to microsecond timescales. The different sensitivities of neutrons to protium (H) and deuterium (D) isotopes of hydrogen allow enhanced visibility of specific parts of biological complexes through isotopic labeling. The impact of neutrons will be most powerful when neutron scattering is combined with complementary experimental techniques that use photons and electrons, and with high-performance computing. The interconnection and mutuality of the experimental and theoretical capabilities will drive discoveries in biological and health sciences to generate more complete picture of complex biological systems. The major limitation in the field of biological neutron crystallography has been signal-to-noise, demanding large samples that are difficult to produce for the majority of biomacromolecules and limiting the applicability of this technique in biological sciences. A neutron crystallography instrument at the Second Target Station will revolutionize biological science with neutrons by engaging a large scientific community of structural biologists, enabling successful neutron diffraction experiments from radically smaller biomacromolecular crystals, resolving unanswered biochemical questions, and meaningfully contributing to rational drug design. The meeting highlighted 10 grand challenges that will be addressed with this advanced capability over the next decade and beyond, and the recommendations required to help address them are given below.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Exploring new topography-based subgrid spatial structures for improving land surface modeling

Topography plays an important role in land surface processes through its influence on atmospheric forcing, soil and vegetation properties, and river network topology and drainage area. Land surface models with a spatial structure that captures spatial heterogeneity, which is directly affected by topography, may improve the representation of land surface processes. Previous studies found that land surface modeling, using subbasins instead of structured grids as computational units, improves the scalability of simulated runoff and streamflow processes. In this study, new land surface spatial structures are explored by further dividing subbasins into subgrid structures based on topographic properties, including surface elevation, slope and aspect. Two methods (local and global) of watershed discretization are applied to derive two types of subgrid structures (geo-located and non-geo-located) over the topographically diverse Columbia River basin in the northwestern United States. In the global method, a fixed elevation classification scheme is used to discretize subbasins. The local method utilizes concepts of hypsometric analysis to discretize each subbasin, using different elevation ranges that also naturally account for slope variations. The relative merits of the two methods and subgrid structures are investigated for their ability to capture topographic heterogeneity and the implications of this on representations of atmospheric forcing and land cover spatial patterns. Results showed that the local method reduces the standard deviation (SD) of subgrid surface elevation in the study domain by 17 to 19 % compared to the global method, highlighting the relative advantages of the local method for capturing subgrid topographic variations. The comparison between the two types of subgrid structures showed that the non-geo-located subgrid structures are more consistent across different area threshold values than the geo-located subgrid structures. Altogether the local method and non-geo-located subgrid structures effectively and robustly capture topographic, climatic and vegetation variability, which is important for land surface modeling.

58 GEOSCIENCES↗
NASA NTRS1984

Finite element thermal-structural analysis of cable-stiffened space structues

Finite element thermal-structural analyses of large, cable-stiffened space structures are presented. A computational scheme for the calculation of prestresses in the cable-stiffened structures is also described. The determination of thermal loads on orbiting space structures due to environment heating is discussed briefly. Three finite element structural analysis techniques are presented for the analysis of prestressed structures. Linear, stress stiffening, and large displacement analysis techniques were investigated. These three techniques were employed for analysis of prestressed cable structures at different prestress levels. The analyses produced similar results at small prestress, but at higher prestress, differences between the results became significant. For the cable-stiffened structures studied, the linear analysis technique may not provide acceptable results. The stress stiffening analysis technique may yield results of acceptable accuracy depending upon the level of prestress. The large displacement analysis technique produced accurate results over a wide range of prestress and is recommended as a general analysis technique for thermal-structural analysis of cable-stiffened space structures.

Thornton, E. A.↗
NASA NTRS1989

Mobility power flow analysis of an L-shaped plate structure subjected to acoustic excitation

An analytical investigation based on the Mobility Power Flow method is presented for the determination of the vibrational response and power flow for two coupled flat plate structures in an L-shaped configuration, subjected to acoustical excitation. The principle of the mobility power flow method consists of dividing the global structure into a series of subsystems coupled together using mobility functions. Each separate subsystem is analyzed independently to determine the structural mobility functions for the junction and excitation locations. The mobility functions, together with the characteristics of the junction between the subsystems, are then used to determine the response of the global structure and the power flow. In the coupled plate structure considered here, mobility power flow expressions are derived for excitation by an incident acoustic plane wave. In this case, the forces (acoustic pressures) acting on the structure are dependent on the response of the structure because of the scattered pressure component. The interaction between the structure and the fluid leads to the derivation of a corrected mode shape for the plates' normal surface velocity and also for the structure mobility functions. The determination of the scattered pressure components in the expressions for the power flow represents an additional component in the power flow balance for the source plate and the receiver plate. This component represents the radiated acoustical power from the plate structure.

Cuschieri, J. M.↗
NASA NTRS1989

Controller reduction for effective interdisciplinary design of active structures

Control problems of large aerospace structures are intrinsically interdisciplinary and require strategies which address the complete interaction between flexible structures, electromechanical actuators and sensors, and feedback control algorithms. Current research and future directions which will require an interdisciplinary team effort in dynamics, control and optimization of such structures are being surveyed. It is generally agreed that the dynamics of space structures require large scale discrete modeling, resulting in thousands of discrete unknowns. Proven control strategies, on the other hand, employ a low order controller that is based on a reduced order model of structures. Integration of such low order controllers and large scale dynamics models often leads to serious deterioration of the closed loop stability margin and even instability. To alleviate this stability deterioration while low order controllers remain effective, the following approach was investigated: (1) retain low order controllers based on reduced order models of structures as the basic control strategy; (2) introduce a compensator that will directly account for the deterioration of stability margin due to controller-structure integration; and (3) assess overall performance of the integrated control structure system by developing measures of suboptimality in the combination of (1) and (2). The benefits include: simplicity in the design of basic controllers, thus facilitating the optimization of structure control interactions; increased understanding of the roles of the compensator so as to modify the structure as well as the basic controller, if necessary, for improved performance; and adaptability to localize controllers by viewing the compensator as a systems integration filter.

Balas, Mark J.↗
NASA NTRS1991

Deployable robotic woven wire structures and joints for space applications

Deployable robotic structures are basically expandable and contractable structures that may be transported or launched to space in a compact form. These structures may then be intelligently deployed by suitable actuators. The deployment may also be done by means of either airbag or spring-loaded typed mechanisms. The actuators may be pneumatic, hydraulic, ball-screw type, or electromagnetic. The means to trigger actuation may be on-board EPROMS, programmable logic controllers (PLCs) that trigger actuation based on some input caused by the placement of the structure in the space environment. The actuation may also be performed remotely by suitable remote triggering devices. Several deployable woven wire structures are examined. These woven wire structures possess a unique form of joint, the woven wire joint, which is capable of moving and changing its position and orientation with respect to the structure itself. Due to the highly dynamic and articulate nature of these joints the 3-D structures built using them are uniquely and highly expandable, deployable, and dynamic. The 3-D structure naturally gives rise to a new generation of deployable three-dimensional spatial structures.

Shahinpoor, MO↗